3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide

C9H12N4O2S — CID 43429651

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cn[nH]c1
InChIInChI=1S/C9H12N4O2S/c14-8(12-7-5-10-11-6-7)1-2-13-3-4-16-9(13)15/h5-6H,1-4H2,(H,10,11)(H,12,14)
InChIKeyACPXOOSIIICDBW-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.91
Rot. Bonds4

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43429651) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43429651
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cn[nH]c1
InChIInChI=1S/C9H12N4O2S/c14-8(12-7-5-10-11-6-7)1-2-13-3-4-16-9(13)15/h5-6H,1-4H2,(H,10,11)(H,12,14)
InChIKeyACPXOOSIIICDBW-UHFFFAOYSA-N
XLogP0.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrazol-4-yl)-1-(3-sulfanylpropanoyl)pyrrolidine-3-carboxamide
CID 177681147
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429369
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429562
2-(2-oxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429572
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)butanamide
CID 43429616
3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429647
2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429726
2-(Tert-butylthio)-N-(1h-pyrazol-4-yl)acetamide
CID 43429754

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide (CID 43429651) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide is O=C(CCN1CCSC1=O)Nc1cn[nH]c1.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is ACPXOOSIIICDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c14-8(12-7-5-10-11-6-7)1-2-13-3-4-16-9(13)15/h5-6H,1-4H2,(H,10,11)(H,12,14).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 240.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).